SCHEMBL20667176

SCHEMBL20667176

Cc1cc(-c2nc(C#N)c(N)nc2-c2ccccc2)cc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.57
▸ ADORA1 P30542 3/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.41
▸ DYRK1A Q13627 2/20 0.40
▸ USP8 P40818 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ GRK5 P34947 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MAP2K2 P36507 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ LIMK1 P53667 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20667728 0.86 ADORA2A (0.71) ADORA2AADORA1USP8
SCHEMBL20667492 0.86 ADORA2A (0.57) ADORA2AADORA1ADORA3USP8
SCHEMBL20667547 0.83 ADORA2A (0.49) ADORA2AADORA1KDM4EDYRK1AUSP8
SCHEMBL20657863 0.81 ADORA2A (0.62) ADORA2AADORA1ADORA3KDM4EDYRK1A
SCHEMBL20666168 0.79 ADORA2A (0.82) ADORA2AADORA1ADORA3DYRK1AABL1
SCHEMBL20667533 0.78 ADORA2A (0.58) ADORA2AADORA1ADORA3KDM4EUSP8
SCHEMBL20392549 0.78 ADORA2A (0.64) ADORA2AADORA1ADORA3
SCHEMBL20666607 0.78 ADORA2A (0.56) ADORA2AADORA1KDM4EDYRK1AUSP8
SCHEMBL28823015 0.78 USP8 (0.58) ADORA2AADORA1KDM4EDYRK1AUSP8
SCHEMBL20667229 0.77 ADORA2A (0.68) ADORA2AADORA1KDM4EALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 — — US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 — — US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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